Geometry & MOs

Info

ID:	237975
PubChem CID:	92723335
Reduced:	S2N3O3H15C17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	2.51
IP(EA), eV:	-8.55(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

DOS

IR

Vibrations